⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL272458 | 1.00 | — | — | |
| Bromide SCHEMBL7941597 | 0.97 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL30926986 | 0.97 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL271876 | 0.97 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL17560231 | 0.94 | KDM4E (0.30) | — | |
| SCHEMBL23505786 | 0.94 | — | — | |
| SCHEMBL1139811 | 0.87 | — | — | |
| SCHEMBL22928568 | 0.87 | — | — | |
| SCHEMBL24405239 | 0.87 | — | — | |
| SCHEMBL55587 | 0.87 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022165529-A1 | SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES | JANSSEN BIOTECH, INC. (US) | 2022-08-04 | — | — | WO | disclosed |
| EP-2847208-B1 | C-17 BICYCLIC AMINES OF TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | VIIV HEALTHCARE UK (NO 5) LTD (GB) | 2017-10-04 | — | — | EP | disclosed |
| US-8889854-B2 | C-17 bicyclic amines of triterpenoids with HIV maturation inhibitory activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-11-18 | — | — | US | disclosed |
| US-20130296554-A1 | C-17 BICYCLIC AMINES OF TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) | 2013-11-07 | — | — | US | disclosed |